Project name: 69c9727f695a1c7 [mutate: VR5A] [mutate: LK11A] [mutate: YH38A] [mutate: HR38A] [mutate: YK80A, VK93A, SK21A, WK95A] [mutate: KW95A]

Chain sequence(s)	A: DVQLRESGGGKVQAGGSLRLKCTVSTSRFSGVGRMAWRRQAPGKQREKVAEITRAGSRTYADAVKGRFTISRDNAKNTVKLQMDRLKPEDTAKYKCVRARWQSGTPRTPGTQVTVSS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	KW95A
Energy difference between WT (input) and mutated protein (by FoldX)	-2.88225 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:51)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:10)

• Minimal score value: -3.0079
• Maximal score value: 0.0
• Average score: -1.3253
• Total score value: -155.0611

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	D	A	-1.9043
2	V	A	-1.6458
3	Q	A	-2.0144
4	L	A	-1.9688
5	R	A	-2.3659
6	E	A	0.0000
7	S	A	-1.4315
8	G	A	-1.5326
9	G	A	-1.7050
10	G	A	-1.6922
11	K	A	-2.3041
12	V	A	0.0000
13	Q	A	-2.1164
14	A	A	-2.0974
15	G	A	-1.8727
16	G	A	-1.7241
17	S	A	-1.7617
18	L	A	-1.8131
19	R	A	-2.4576
20	L	A	0.0000
21	K	A	-1.8267
22	C	A	0.0000
23	T	A	-1.4797
24	V	A	0.0000
25	S	A	-1.3565
26	T	A	-1.3028
27	S	A	-1.2283
28	R	A	-2.2670
29	F	A	0.0000
30	S	A	-1.7147
31	G	A	-1.7651
32	V	A	0.0000
33	G	A	-2.0971
34	R	A	-2.7322
35	M	A	0.0000
36	A	A	0.0000
37	W	A	0.0000
38	R	A	-1.1975
39	R	A	0.0000
40	Q	A	-2.3593
41	A	A	-2.0644
42	P	A	-1.4709
43	G	A	-1.8259
44	K	A	-3.0079
45	Q	A	-2.8484
46	R	A	-2.6118
47	E	A	-2.3246
48	K	A	-1.3727
49	V	A	0.0000
50	A	A	0.0000
51	E	A	0.0000
52	I	A	0.0000
53	T	A	-2.1799
54	R	A	-2.8074
55	A	A	-1.4816
56	G	A	-1.6613
57	S	A	-1.5834
58	R	A	-2.0037
59	T	A	-1.2568
60	Y	A	-1.2881
61	A	A	-1.5608
62	D	A	-2.4031
63	A	A	-1.5978
64	V	A	0.0000
65	K	A	-2.5797
66	G	A	-2.0070
67	R	A	-2.0982
68	F	A	0.0000
69	T	A	-1.2111
70	I	A	0.0000
71	S	A	-1.1477
72	R	A	-1.8875
73	D	A	-1.8157
74	N	A	-2.3498
75	A	A	-1.4970
76	K	A	-2.2794
77	N	A	-1.9564
78	T	A	0.0000
79	V	A	0.0000
80	K	A	-1.6698
81	L	A	0.0000
82	Q	A	-1.5585
83	M	A	0.0000
84	D	A	-2.5397
85	R	A	-2.9445
86	L	A	0.0000
87	K	A	-2.7191
88	P	A	-1.8491
89	E	A	-2.3017
90	D	A	0.0000
91	T	A	-1.5417
92	A	A	0.0000
93	K	A	-1.4669
94	Y	A	0.0000
95	W	A	0.0000	mutated: KW95A
96	C	A	0.0000
97	V	A	0.0000
98	R	A	-2.2667
99	A	A	0.0000
100	R	A	-2.6569
101	W	A	-1.6076
102	Q	A	-1.8315
103	S	A	-1.0258
104	G	A	-0.8282
105	T	A	-0.8821
106	P	A	-1.0949
107	R	A	-2.2625
108	T	A	0.0000
109	P	A	-1.1904
110	G	A	-1.3396
111	T	A	-1.3697
112	Q	A	-1.9790
113	V	A	0.0000
114	T	A	-1.7405
115	V	A	0.0000
116	S	A	-1.4386
117	S	A	-1.0416